N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide

C14H10F3N3OS — CID 3241089

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1cn2ccsc2n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3N3OS/c15-14(16,17)10-3-1-2-9(6-10)12(21)18-7-11-8-20-4-5-22-13(20)19-11/h1-6,8H,7H2,(H,18,21)
InChIKeyDARCXEZMYHVZEV-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.34
Rot. Bonds3

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 3241089) has the molecular formula C14H10F3N3OS and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID3241089
Molecular FormulaC14H10F3N3OS
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1cn2ccsc2n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3N3OS/c15-14(16,17)10-3-1-2-9(6-10)12(21)18-7-11-8-20-4-5-22-13(20)19-11/h1-6,8H,7H2,(H,18,21)
InChIKeyDARCXEZMYHVZEV-UHFFFAOYSA-N
XLogP3.34
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide (CID 3241089) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide is O=C(NCc1cn2ccsc2n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is DARCXEZMYHVZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c15-14(16,17)10-3-1-2-9(6-10)12(21)18-7-11-8-20-4-5-22-13(20)19-11/h1-6,8H,7H2,(H,18,21).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 325.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3241089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).